2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine

C14H8Cl2F2N4 — CID 157044910

IUPAC2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3cc(F)c(Cl)cc3F)c2nc1C
InChIInChI=1S/C14H8Cl2F2N4/c1-5-6(2)20-13-12(19-5)11(21-14(16)22-13)7-3-10(18)8(15)4-9(7)17/h3-4H,1-2H3
InChIKeyYRFYGTUOCZWWFT-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.29
Rot. Bonds1

About 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine

2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine (PubChem CID 157044910) has the molecular formula C14H8Cl2F2N4 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine
PubChem CID157044910
Molecular FormulaC14H8Cl2F2N4
Molecular Weight341.15 g/mol
Exact Mass340.01
IUPAC Name2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(Cl)nc(-c3cc(F)c(Cl)cc3F)c2nc1C
InChIInChI=1S/C14H8Cl2F2N4/c1-5-6(2)20-13-12(19-5)11(21-14(16)22-13)7-3-10(18)8(15)4-9(7)17/h3-4H,1-2H3
InChIKeyYRFYGTUOCZWWFT-UHFFFAOYSA-N
XLogP4.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine?
The IUPAC name of 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine (CID 157044910) is 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine?
The canonical SMILES for 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine is Cc1nc2nc(Cl)nc(-c3cc(F)c(Cl)cc3F)c2nc1C.
What is the InChIKey of 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine?
The InChIKey is YRFYGTUOCZWWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N4/c1-5-6(2)20-13-12(19-5)11(21-14(16)22-13)7-3-10(18)8(15)4-9(7)17/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine?
2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine has a molecular weight of 341.15 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridine is sourced from PubChem (CID 157044910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).